merge pdb chains

Question

[galleria123]

Hello,

I am looking for tool/script that will modify a multiple chain (domain) pdb and merge all of the chains into a single chain and then renumber all of the residues and atoms so there are no clashes. I have spend a day looking without success so thought it may be better to post. Any ideas welcome. Thanks.

Answer 1

[João Rodrigues]

Try this: https://github.com/JoaoRodrigues/pdb-tools

More specifically, this will extract chains A and B from your pdb, rename them to chain A, and renumber the residues sequentially from 1. pdb_selchain.py -AB your.pdb | pdb_chain.py -A | pdb_reres.py -1 > new.pdb